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15499-27-1 | Benzene, 1-butyl-4-chloro-
CAS No: 15499-27-1 Catalog No: AG001NJ0 MDL No:MFCD00051926
Product Description
Catalog Number:
AG001NJ0
Chemical Name:
Benzene, 1-butyl-4-chloro-
CAS Number:
15499-27-1
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
MDL Number:
MFCD00051926
IUPAC Name:
1-butyl-4-chlorobenzene
InChI:
InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChI Key:
SKNUPXIXICTRJE-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)Cl
EC Number:
604-986-9
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.664g/mol
Monoisotopic Mass:
168.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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